SCHEMBL19971353

SCHEMBL19971353

CNC(=O)OCc1cn(S(=O)(=O)c2cccc(F)c2)c2cc(Br)ncc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.41
DRD2 P14416 1/20 0.41
IDE P14735 1/20 0.38
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR2A P28223 1/20 0.35
BRD4 O60885 1/20 0.34
RORC P51449 1/20 0.34
PLK1 P53350 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16618728 0.84 HTR6 (0.46) HTR6DRD2IDEHTR2ABRD4
SCHEMBL19971366 0.84 HTR6 (0.41) HTR6DRD2IDEPTGDRPTGDR2
SCHEMBL19971354 0.83 HTR6 (0.38) HTR6DRD2IDEPTGDRPTGDR2
SCHEMBL19971348 0.81 HTR6 (0.36) HTR6DRD2IDEHTR2ARORC
SCHEMBL16618765 0.80 HTR6 (0.42) HTR6DRD2IDEPTGDRPTGDR2
SCHEMBL16626796 0.78 HTR6 (0.39) HTR6DRD2IDEPTGDRPTGDR2
SCHEMBL19971401 0.76 HTR6 (0.39) HTR6IDEPTGDRPTGDR2HDAC1
SCHEMBL19971533 0.76 HTR6 (0.39) HTR6IDEPTGDRPTGDR2HTR2A
SCHEMBL19971426 0.74 RORC (0.45) HTR6HDAC1HDAC2HDAC6BRD4
SCHEMBL19971361 0.74 HTR6 (0.36) HTR6DRD2IDEPTGDRPTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP claimed
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed